N-(2-ethyl-6-methyl-phenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C

InChI

InChI=1S/C25H26N4OS/c1-3-20-11-9-10-19(2)24(20)27-23(30)18-31-17-21-16-26-29(22-12-5-4-6-13-22)25(21)28-14-7-8-15-28/h4-16H,3,17-18H2,1-2H3,(H,27,30)